tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate

C10H20N2O3 — CID 22408667

IUPACtert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC1CON
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7-4-8(7)6-14-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyYHTFVVCAOJRJJU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.04
Rot. Bonds4

About tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate

tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate (PubChem CID 22408667) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
PubChem CID22408667
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC1CON
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7-4-8(7)6-14-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyYHTFVVCAOJRJJU-UHFFFAOYSA-N
XLogP1.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
CID 143403345
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 178203019
tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate
CID 178190915
tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
CID 153296016
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 155904648
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate (CID 22408667) is tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CC1CON.
What is the InChIKey of tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate?
The InChIKey is YHTFVVCAOJRJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7-4-8(7)6-14-11/h7-8H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate?
tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 22408667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).